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{
"id": "jvasp-37103",
"created_at": "2022-09-04T14:37:58.603669Z",
"updated_at": "2022-09-04T14:37:58.603688Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n3.195584 3.195584 0.000000\n3.195584 -0.000000 -3.195584\n0.000000 3.195584 -3.195584\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.749999 0.749999 Sc\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Si\n",
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{
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"structure_string": "Sc2 Mn1 Si1\n1.0\n-3.195691 -3.195691 -0.000000\n-3.195691 -0.000000 -3.195691\n0.000000 -3.195691 -3.195691\nSc Mn Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
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{
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"structure_string": "Hf2 Tl1\n1.0\n-3.518791 0.000000 -0.000000\n0.000000 3.518791 0.000000\n1.759395 -1.759395 -5.403631\nHf Tl\n2 1\ndirect\n0.167593 0.167593 0.335186 Hf\n0.832405 0.832405 0.664814 Hf\n0.500000 0.500000 0.000000 Tl\n",
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{
"id": "jvasp-28410",
"created_at": "2022-09-04T14:36:17.494593Z",
"updated_at": "2022-09-04T14:36:17.494618Z",
"structure_string": "W1 Se2\n1.0\n3.324606 0.000000 0.000030\n-1.662304 2.879193 -0.000036\n0.000143 -0.000117 14.566104\nW Se\n1 2\ndirect\n0.333334 0.666666 0.214846 W\n0.666662 0.333341 0.330294 Se\n0.666673 0.333324 0.099400 Se\n",
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{
"id": "jvasp-56183",
"created_at": "2022-09-04T14:37:06.574331Z",
"updated_at": "2022-09-04T14:37:06.574355Z",
"structure_string": "Nd4 Mn8\n1.0\n2.753914 -4.769918 0.000000\n2.753914 4.769918 -0.000000\n-0.000000 0.000000 8.139763\nNd Mn\n4 8\ndirect\n0.333332 0.666666 0.943291 Nd\n0.666666 0.333332 0.056709 Nd\n0.333332 0.666666 0.556709 Nd\n0.666666 0.333332 0.443291 Nd\n0.158870 0.317740 0.250000 Mn\n0.158869 0.841129 0.250000 Mn\n0.682258 0.841129 0.250000 Mn\n0.317740 0.158870 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.841129 0.158869 0.750000 Mn\n0.841129 0.682258 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n",
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"formula_full": "Nd4 Mn8",
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{
"id": "jvasp-59744",
"created_at": "2022-09-04T14:38:08.164555Z",
"updated_at": "2022-09-04T14:38:08.164587Z",
"structure_string": "Tl1 Cd1 N3 O6\n1.0\n5.788456 0.000000 0.000000\n-0.000000 5.788456 -0.000000\n-0.000000 0.000000 5.788456\nTl Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.714878 O\n0.000000 0.714878 0.500000 O\n0.000000 0.285123 0.500000 O\n0.500000 0.000000 0.285123 O\n0.285123 0.500000 0.000000 O\n0.714878 0.500000 0.000000 O\n",
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{
"id": "jvasp-30551",
"created_at": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
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"density_atomic": 0.04274215072323634,
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"formula_full": "Cr4 S10",
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"spacegroup": 59
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{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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],
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"density_atomic": 0.07846383445305559,
"volume": 280.3839520889393,
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"formula_full": "Pr2 Mn3 Sb3 O14",
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{
"id": "jvasp-35988",
"created_at": "2022-09-04T14:37:20.018061Z",
"updated_at": "2022-09-04T14:37:20.018086Z",
"structure_string": "Hf1 N1\n1.0\n2.811131 0.000000 -0.000000\n-0.000000 2.811131 0.000000\n0.000000 -0.000000 2.811131\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n",
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},
{
"id": "jvasp-29923",
"created_at": "2022-09-04T14:37:50.640874Z",
"updated_at": "2022-09-04T14:37:50.640884Z",
"structure_string": "Nb8 P4 S40\n1.0\n7.169928 0.000000 0.000000\n0.000000 13.121661 0.000000\n0.000000 0.000000 13.833313\nNb P S\n8 4 40\ndirect\n0.937695 0.917824 0.255343 Nb\n0.932471 0.208656 0.248162 Nb\n0.062305 0.582176 0.755343 Nb\n0.062305 0.417824 0.244657 Nb\n0.067529 0.291344 0.748162 Nb\n0.932471 0.791344 0.751838 Nb\n0.937695 0.082176 0.744656 Nb\n0.067529 0.708656 0.251838 Nb\n0.618166 0.942513 0.845150 P\n0.381834 0.557487 0.345150 P\n0.381834 0.442513 0.654850 P\n0.618166 0.057487 0.154850 P\n0.913491 0.800271 0.112588 S\n0.431071 0.309508 0.725403 S\n0.902105 0.328960 0.105823 S\n0.575427 0.927749 0.230720 S\n0.424573 0.572251 0.730720 S\n0.438553 0.071640 0.032507 S\n0.110126 0.433984 0.878456 S\n0.902105 0.671039 0.894177 S\n0.148916 0.934260 0.685684 S\n0.097896 0.171039 0.605823 S\n0.424573 0.427749 0.269280 S\n0.086509 0.699729 0.612588 S\n0.561448 0.571640 0.467493 S\n0.086509 0.300271 0.387412 S\n0.179493 0.848654 0.141465 S\n0.097896 0.828960 0.394177 S\n0.568929 0.190492 0.225403 S\n0.169041 0.720979 0.869925 S\n0.431071 0.690492 0.274597 S\n0.101737 0.440243 0.618901 S\n0.169041 0.279021 0.130075 S\n0.820507 0.348654 0.358535 S\n0.851084 0.565740 0.185684 S\n0.110126 0.566016 0.121544 S\n0.889874 0.066016 0.378456 S\n0.561448 0.428360 0.532507 S\n0.830960 0.220979 0.630075 S\n0.830960 0.779021 0.369925 S\n0.148916 0.065740 0.314316 S\n0.568929 0.809508 0.774597 S\n0.575427 0.072251 0.769280 S\n0.851084 0.434260 0.814316 S\n0.898263 0.059757 0.118901 S\n0.898263 0.940243 0.881099 S\n0.179493 0.151346 0.858535 S\n0.101737 0.559757 0.381099 S\n0.438553 0.928360 0.967493 S\n0.820507 0.651346 0.641465 S\n0.889874 0.933984 0.621543 S\n0.913491 0.199729 0.887412 S\n",
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{
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"created_at": "2022-09-04T14:36:16.884667Z",
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"structure_string": "Dy1 P2 Pt8\n1.0\n3.897222 0.000005 1.058101\n1.887002 6.011482 0.755955\n-0.024234 -0.010887 7.794810\nDy P Pt\n1 2 8\ndirect\n0.500000 0.500000 0.500000 Dy\n0.058138 0.173189 0.710559 P\n0.941862 0.826811 0.289441 P\n0.217675 0.147900 0.416745 Pt\n0.823050 0.509365 0.844567 Pt\n0.176950 0.490634 0.155433 Pt\n0.168355 0.817183 0.846146 Pt\n0.475195 0.178873 0.870790 Pt\n0.524806 0.821127 0.129210 Pt\n0.782325 0.852099 0.583256 Pt\n0.831645 0.182817 0.153854 Pt\n",
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{
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"created_at": "2022-09-04T14:35:52.854184Z",
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"structure_string": "Dy1 P2 Pt8\n1.0\n3.897531 -0.000021 1.058188\n1.887134 6.011335 0.755933\n-0.023965 -0.010956 7.794455\nDy P Pt\n1 2 8\ndirect\n0.499999 0.499999 0.500000 Dy\n0.058140 0.173175 0.710569 P\n0.941859 0.826824 0.289431 P\n0.217679 0.147891 0.416735 Pt\n0.823050 0.509354 0.844574 Pt\n0.176948 0.490645 0.155425 Pt\n0.168369 0.817154 0.846140 Pt\n0.475198 0.178863 0.870785 Pt\n0.524800 0.821136 0.129215 Pt\n0.782320 0.852107 0.583265 Pt\n0.831629 0.182844 0.153860 Pt\n",
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}